4-(3-Fluorobenzyl)-1,4-diazepan-5-one
TL;DR: 4-(3-Fluorobenzyl)-1,4-diazepan-5-one (CAS 879050-48-3) is a chemical compound with molecular formula C12H15FN2O and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one
Also Known As: 4-(3-FLUOROBENZYL)-1,4-DIAZEPAN-5-ONE, 4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one, ASN 14644709, 4-(3-Fluoro-benzyl)-[1,4]diazepan-5-one, Z-1544
| Molecular Formula | C12H15FN2O |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 1.1476 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11684 |
| Heavy Atoms | 16 |
| Complexity | 381.03644 |
Chemical Identifiers
| CAS Number | 879050-48-3 |
|---|---|
| SMILES | C1CNCCN(C1=O)CC2=CC(=CC=C2)F |
Product Overview
4-(3-Fluorobenzyl)-1,4-diazepan-5-one (CAS 879050-48-3), with molecular formula C12H15FN2O and molecular weight 222.12 g/mol. IUPAC: 4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one.
Chemical Property Profile of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one
Property Insights of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one
The XLogP value of 1.1476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Fluorobenzyl)-1,4-diazepan-5-one. With a topological polar surface area (TPSA) of 32.34 Ų, 4-(3-Fluorobenzyl)-1,4-diazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Fluorobenzyl)-1,4-diazepan-5-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one?
The CAS number of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one is 879050-48-3.
What is the molecular formula of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one?
The molecular formula of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one is C12H15FN2O.
What is the molecular weight of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one?
The molecular weight of 4-(3-Fluorobenzyl)-1,4-diazepan-5-one is 222.12 g/mol.
Where can I buy 4-(3-Fluorobenzyl)-1,4-diazepan-5-one?
You can request a quote for 4-(3-Fluorobenzyl)-1,4-diazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Fluorobenzyl)-1,4-diazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Fluorobenzyl)-1,4-diazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.